N-[1-[3-methyl-4-(3-phenylpropoxy)phenyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: N-[1-[3-methyl-4-(3-phenylpropoxy)phenyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: N-[1-[3-methyl-4-(3-phenylpropoxy)phenyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: N-[1-[3-methyl-4-(3-phenylpropoxy)phenyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: N-[1-[3-methyl-4-(3-phenylpropoxy)phenyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: 1-[3-methyl-4-(3-phenylpropoxy)phenyl]ethyl-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amine Formula: C24H32N2O MolecularWeight: 364.52368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)NC2=NCCCCC2)OCCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)NC2=NCCCCC2)OCCCC3=CC=CC=C3

InChI

InChI=1S/C24H32N2O/c1-19-18-22(20(2)26-24-13-7-4-8-16-25-24)14-15-23(19)27-17-9-12-21-10-5-3-6-11-21/h3,5-6,10-11,14-15,18,20H,4,7-9,12-13,16-17H2,1-2H3,(H,25,26)